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Compound InformationSONAR Target prediction
Name:

HEXAMETHYLQUERCETAGETIN

Unique Identifier:SPE01505383
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H22O8
Molecular Weight:380.22 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1ccc(cc1OC)C1Oc2cc(OC)c(OC)c(OC)c2C(=O)C=1OC
Class:flavone
Source:Citrus spp
Reference:Phytochemistry 11:2283 (1972)

Found: 104 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7159±0.00608112
Normalized OD Score: sc h 0.9861±0.00146088
Z-Score: -0.7412±0.094147
p-Value: 0.459576
Z-Factor: -2.85409
Fitness Defect: 0.7775
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00119
Plate DMSO Control (-):0.70815±0.01282
Plate Z-Factor:0.9284
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7222 | Additional Members: 3 | Rows returned: 2
SPE01600075 0.426229508196721
SPE01505380 0.259259259259259

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